propan-2-one;1-pyridin-2-ylethanone

C10H13NO2 — CID 158043833

IUPACpropan-2-one;1-pyridin-2-ylethanone
SMILESCC(=O)c1ccccn1.CC(C)=O
InChIInChI=1S/C7H7NO.C3H6O/c1-6(9)7-4-2-3-5-8-7;1-3(2)4/h2-5H,1H3;1-2H3
InChIKeyFIRCEVFWLCVRJZ-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.88
Rot. Bonds1

About propan-2-one;1-pyridin-2-ylethanone

propan-2-one;1-pyridin-2-ylethanone (PubChem CID 158043833) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is propan-2-one;1-pyridin-2-ylethanone.

Molecular Properties

Compound Namepropan-2-one;1-pyridin-2-ylethanone
PubChem CID158043833
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Namepropan-2-one;1-pyridin-2-ylethanone
SMILESCC(=O)c1ccccn1.CC(C)=O
InChIInChI=1S/C7H7NO.C3H6O/c1-6(9)7-4-2-3-5-8-7;1-3(2)4/h2-5H,1H3;1-2H3
InChIKeyFIRCEVFWLCVRJZ-UHFFFAOYSA-N
XLogP1.88
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-pyridin-2-ylethanone;dihydrochloride
CID 174550471
molecular iodine;1-pyridin-2-ylethanone
CID 169427217
bicyclo[2.2.0]hexa-1,3,5-triene;1-pyridin-2-ylethanone
CID 22757609
1-pyridin-2-ylethanone;1-pyridin-2-ylpropan-1-one
CID 89479479
1-pyridin-2-ylethanone;quinoline
CID 175538468
acetyl bromide;pyridine-2-carboxamide
CID 175817538
phosphanyl(pyridin-2-yl)methanone
CID 89397457
ethane;pyridine-2-carbonyl chloride
CID 158598971
1,7-dihydropurin-6-one;1-pyridin-2-ylethanone
CID 135827974
gadolinium;pyridine-2-carboxylic acid
CID 175231422
ethane;pyridine-2-carbonyl fluoride
CID 161184414
1-pyridin-2-ylbutane-1,3-dione
CID 12707221

Frequently Asked Questions

What is the IUPAC name of propan-2-one;1-pyridin-2-ylethanone?
The IUPAC name of propan-2-one;1-pyridin-2-ylethanone (CID 158043833) is propan-2-one;1-pyridin-2-ylethanone.
What is the SMILES notation for propan-2-one;1-pyridin-2-ylethanone?
The canonical SMILES for propan-2-one;1-pyridin-2-ylethanone is CC(=O)c1ccccn1.CC(C)=O.
What is the InChIKey of propan-2-one;1-pyridin-2-ylethanone?
The InChIKey is FIRCEVFWLCVRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO.C3H6O/c1-6(9)7-4-2-3-5-8-7;1-3(2)4/h2-5H,1H3;1-2H3.
What are the key properties of propan-2-one;1-pyridin-2-ylethanone?
propan-2-one;1-pyridin-2-ylethanone has a molecular weight of 179.22 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-one;1-pyridin-2-ylethanone is sourced from PubChem (CID 158043833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).